1-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(4-bromanyl-3-methoxy-phenyl)piperazine

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(4-bromanyl-3-methoxy-phenyl)piperazine Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(4-bromo-3-methoxy-phenyl)piperazine CAS Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(4-bromo-3-methoxyphenyl)piperazine IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(4-bromo-3-methoxyphenyl)piperazine Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(4-bromo-3-methoxy-phenyl)piperazine Formula: C20H23BrN2O3 MolecularWeight: 419.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C4=CC(=C(C=C4)Br)OC

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C4=CC(=C(C=C4)Br)OC

InChI

InChI=1S/C20H23BrN2O3/c1-14(15-3-6-18-20(11-15)26-13-25-18)22-7-9-23(10-8-22)16-4-5-17(21)19(12-16)24-2/h3-6,11-12,14H,7-10,13H2,1-2H3